#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6x s ASP 3 N 0.00 4.41 0.00 4.38 1.47 -1.26 -0.37 116.67 125.30 3d6x s ASP 3 Ca 0.00 0.00 0.00 0.00 1.18 0.00 0.00 52.55 53.73 3d6x s ASP 3 Cb 0.00 -0.47 0.00 0.00 -0.34 0.00 0.00 42.92 42.11 3d6x s ASP 3 CO 0.00 -1.83 0.17 0.55 0.68 0.00 0.00 175.17 174.74 3d6x n VAL 4 N -2.93 0.17 0.00 2.11 3.14 -1.23 -0.57 118.33 119.01 3d6x n VAL 4 Ca 0.12 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 3d6x n VAL 4 Cb 0.60 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 3d6x n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d6x n GLN 6 N 1.08 0.00 -0.25 1.45 6.02 -1.26 -2.74 117.38 121.68 3d6x n GLN 6 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 3d6x n GLN 6 Cb 0.07 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.51 3d6x n GLN 6 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3d6x h ILE 7 N 0.00 0.62 0.00 5.09 5.03 -1.14 -2.08 117.51 125.03 3d6x h ILE 7 Ca 0.00 -0.13 -0.02 0.00 -0.12 0.00 0.00 64.86 64.59 3d6x h ILE 7 Cb 0.00 0.21 -0.00 0.00 -3.03 0.00 0.00 36.82 33.99 3d6x h ILE 7 CO 0.00 0.07 -0.09 1.56 -0.68 0.00 0.00 178.15 179.01 3d6x h GLN 8 N 0.38 0.00 -0.29 2.37 4.20 -1.74 0.57 115.11 120.60 3d6x h GLN 8 Ca 0.41 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.06 3d6x h GLN 8 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3d6x h GLN 8 CO -0.43 0.09 -0.03 0.93 -0.67 0.00 0.00 178.83 178.72 3d6x h GLU 9 N 0.00 0.52 0.28 1.46 5.08 -1.69 -3.37 114.58 116.87 3d6x h GLU 9 Ca -0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3d6x h GLU 9 Cb 0.81 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3d6x h GLU 9 CO 0.01 0.70 -0.14 0.82 -1.00 0.00 0.00 179.01 179.40 3d6x h ILE 10 N 0.30 0.00 -3.89 3.13 2.04 -0.92 -3.45 117.51 114.72 3d6x h ILE 10 Ca 0.08 -0.33 -0.47 0.00 1.00 0.00 0.00 64.86 65.14 3d6x h ILE 10 Cb 0.48 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3d6x h ILE 10 CO 0.02 0.00 0.37 -0.76 0.00 0.00 0.00 178.15 177.78 3d6x s LEU 11 N -7.16 4.32 0.08 1.44 1.43 0.19 -4.96 118.68 114.02 3d6x s LEU 11 Ca -0.06 1.91 0.28 0.00 -1.03 0.00 0.00 54.13 55.23 3d6x s LEU 11 Cb 0.01 -4.01 1.06 0.00 0.03 0.00 0.00 46.19 43.27 3d6x s LEU 11 CO 0.17 -0.15 1.86 -0.81 0.23 0.00 0.00 176.35 177.64 3d6x n PRO 12 N 0.50 0.10 -1.82 1.29 -0.04 -1.26 -4.48 135.00 129.29 3d6x n PRO 12 Ca 0.02 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 63.17 3d6x n PRO 12 Cb 0.50 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 3d6x n PRO 12 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3d6x s HIS 13 N -3.04 2.56 0.24 0.54 3.76 -1.26 -5.03 115.29 113.06 3d6x s HIS 13 Ca 0.12 1.22 0.04 0.00 -0.15 0.00 0.00 55.06 56.30 3d6x s HIS 13 Cb 0.16 -3.96 -0.05 0.00 1.11 0.00 0.00 32.58 29.84 3d6x s HIS 13 CO 0.55 -2.90 0.00 1.03 -0.85 0.00 0.00 174.74 172.57 3d6x s ARG 14 N -2.23 1.38 0.32 1.40 3.00 -1.26 -4.78 118.95 116.79 3d6x s ARG 14 Ca 0.56 -1.71 -0.29 0.00 0.00 0.00 0.00 55.73 54.29 3d6x s ARG 14 Cb -0.45 -0.66 -0.12 0.00 0.00 0.00 0.00 34.95 33.71 3d6x s ARG 14 CO 0.60 -0.10 1.36 0.98 0.00 0.00 0.00 175.30 178.14 3d6x n TYR 15 N -0.46 2.41 -0.75 -0.53 9.36 -1.26 0.61 117.16 126.55 3d6x n TYR 15 Ca -0.05 0.49 -0.20 0.00 3.32 0.00 0.00 57.90 61.47 3d6x n TYR 15 Cb 0.64 -2.46 0.11 0.00 -0.63 0.00 0.00 39.34 37.01 3d6x n TYR 15 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d6x n PRO 16 N 0.93 1.99 -0.84 2.98 -0.04 -1.26 -4.89 135.00 133.87 3d6x n PRO 16 Ca 0.06 -2.25 0.05 0.00 -0.04 0.00 0.00 63.50 61.32 3d6x n PRO 16 Cb 0.36 -1.88 0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3d6x n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d6x n PHE 17 N -0.59 0.00 -3.46 0.54 -0.00 0.20 -4.97 117.46 109.18 3d6x n PHE 17 Ca 0.44 -1.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.46 3d6x n PHE 17 Cb 1.17 -0.19 -0.10 0.00 -0.00 0.00 0.00 39.48 40.36 3d6x n PHE 17 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3d6x s LEU 18 N -1.88 5.17 -0.24 -2.13 2.96 -0.93 -4.57 118.68 117.06 3d6x s LEU 18 Ca 0.33 -0.97 0.14 0.00 -0.22 0.00 0.00 54.13 53.41 3d6x s LEU 18 Cb 0.34 -2.16 0.62 0.00 0.50 0.00 0.00 46.19 45.50 3d6x s LEU 18 CO -0.09 -0.48 1.57 0.18 -1.32 0.00 0.00 176.35 176.22 3d6x n LEU 19 N 5.16 4.75 -4.04 -0.68 4.77 -1.26 -4.86 117.00 120.83 3d6x n LEU 19 Ca -0.11 -3.17 -0.27 0.00 -0.03 0.00 0.00 56.01 52.43 3d6x n LEU 19 Cb 0.46 -0.63 -0.17 0.00 -2.33 0.00 0.00 43.42 40.76 3d6x n LEU 19 CO 0.42 0.78 -0.49 -0.69 -1.33 0.00 0.00 177.39 176.08 3d6x s VAL 20 N -2.93 1.38 -0.07 4.08 1.01 -1.26 -4.60 120.40 118.02 3d6x s VAL 20 Ca 0.48 -0.59 0.11 0.00 0.00 0.00 0.00 61.98 61.98 3d6x s VAL 20 Cb 0.39 -1.27 -0.24 0.00 0.00 0.00 0.00 36.38 35.26 3d6x s VAL 20 CO 0.10 0.42 0.56 0.47 0.00 0.00 0.00 175.10 176.65 3d6x n ASP 21 N 4.12 0.95 -3.64 3.32 8.00 -0.10 -4.95 116.55 124.24 3d6x n ASP 21 Ca -0.20 0.35 -0.15 0.00 0.71 0.00 0.00 54.79 55.50 3d6x n ASP 21 Cb 0.51 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 3d6x n ASP 21 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d6x s LYS 22 N -2.58 0.78 -0.23 -1.24 2.47 -1.11 -3.57 119.74 114.26 3d6x s LYS 22 Ca -0.08 0.60 -0.06 0.00 -1.56 0.00 0.00 55.97 54.88 3d6x s LYS 22 Cb 0.08 0.37 -0.02 0.00 -1.46 0.00 0.00 37.83 36.80 3d6x s LYS 22 CO 0.82 -0.15 0.03 0.42 0.16 0.00 0.00 175.35 176.63 3d6x s ILE 23 N -0.19 4.07 -0.14 5.43 1.01 0.50 -1.04 121.20 130.84 3d6x s ILE 23 Ca -0.04 -0.26 0.18 0.00 0.00 0.00 0.00 60.65 60.54 3d6x s ILE 23 Cb -0.03 -2.88 -0.14 0.00 0.01 0.00 0.00 42.46 39.41 3d6x s ILE 23 CO 0.03 0.38 0.76 0.35 0.00 0.00 0.00 174.94 176.46 3d6x n THR 24 N 4.73 0.99 -3.68 2.92 -2.24 0.51 -0.64 114.28 116.87 3d6x n THR 24 Ca -0.17 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 60.82 3d6x n THR 24 Cb 0.51 -0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 3d6x n THR 24 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3d6x s GLU 25 N -3.02 0.61 -0.22 -0.78 2.12 -0.77 -4.85 118.70 111.80 3d6x s GLU 25 Ca -0.04 0.81 -0.04 0.00 0.36 0.00 0.00 54.97 56.07 3d6x s GLU 25 Cb 0.09 0.25 0.10 0.00 0.26 0.00 0.00 34.13 34.84 3d6x s GLU 25 CO 0.82 -0.09 0.26 -1.17 -0.54 0.00 0.00 175.26 174.53 3d6x s LEU 26 N 0.56 -0.22 -0.35 2.70 2.96 -1.26 -0.03 118.68 123.04 3d6x s LEU 26 Ca -0.02 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.62 3d6x s LEU 26 Cb -0.05 0.54 0.02 0.00 0.50 0.00 0.00 46.19 47.20 3d6x s LEU 26 CO -0.03 -0.33 0.18 -0.54 -1.32 0.00 0.00 176.35 174.31 3d6x s LYS 27 N 2.37 2.93 0.09 1.98 3.01 -0.24 -5.02 119.74 124.87 3d6x s LYS 27 Ca 0.08 -1.00 -0.36 0.00 -1.01 0.00 0.00 55.97 53.68 3d6x s LYS 27 Cb -0.16 -3.65 -0.17 0.00 -1.01 0.00 0.00 37.83 32.84 3d6x s LYS 27 CO -0.14 -0.62 1.12 0.28 0.51 0.00 0.00 175.35 176.50 3d6x n VAL 28 N 4.97 0.46 -1.55 3.17 0.31 -1.26 -1.42 118.33 123.00 3d6x n VAL 28 Ca -0.12 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 63.90 3d6x n VAL 28 Cb 0.47 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.83 3d6x n VAL 28 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3d6x n LYS 29 N 1.81 -1.47 0.00 5.55 5.02 -1.26 -4.71 118.16 123.10 3d6x n LYS 29 Ca 0.18 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.64 3d6x n LYS 29 Cb 0.18 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.63 3d6x n LYS 29 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3d6x n GLU 30 N -2.15 0.00 -3.79 1.97 1.02 -0.51 -4.82 120.64 112.36 3d6x n GLU 30 Ca -0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 3d6x n GLU 30 Cb 0.66 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.99 3d6x n GLU 30 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3d6x s VAL 31 N -0.84 0.06 -0.01 2.62 0.11 -0.81 -0.94 120.40 120.59 3d6x s VAL 31 Ca 0.00 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 3d6x s VAL 31 Cb 0.00 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 3d6x s VAL 31 CO 0.00 -0.25 -0.03 0.54 -3.33 0.00 0.00 175.10 172.03 3d6x s VAL 32 N -1.15 0.27 -0.09 2.04 0.11 -1.26 -1.07 120.40 119.25 3d6x s VAL 32 Ca -0.12 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 3d6x s VAL 32 Cb -0.05 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 3d6x s VAL 32 CO 0.03 0.10 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.94 3d6x s LEU 33 N 0.20 1.95 0.32 2.54 1.43 0.95 -4.38 118.68 121.69 3d6x s LEU 33 Ca -0.02 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 3d6x s LEU 33 Cb -0.05 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.97 3d6x s LEU 33 CO -0.00 0.12 0.71 -0.83 0.23 0.00 0.00 176.35 176.57 3d6x s GLY 34 N 0.45 0.25 0.18 -3.19 0.00 -1.03 -0.36 107.32 103.62 3d6x s GLY 34 Ca -0.17 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 3d6x s GLY 34 CO 0.07 -0.29 0.30 -2.52 0.00 0.00 0.00 173.10 170.67 3d6x s TYR 35 N -3.27 0.46 -0.06 1.90 1.13 -0.21 0.39 117.35 117.70 3d6x s TYR 35 Ca 0.15 -0.81 0.02 0.00 -1.41 0.00 0.00 57.07 55.03 3d6x s TYR 35 Cb -0.05 -0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.77 3d6x s TYR 35 CO 0.10 -0.76 -0.12 0.21 -2.51 0.00 0.00 175.55 172.47 3d6x s LYS 36 N -3.99 1.57 0.01 -3.49 2.20 -0.06 -0.93 119.74 115.05 3d6x s LYS 36 Ca 0.20 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 3d6x s LYS 36 Cb 0.03 -1.32 -0.04 0.00 -1.51 0.00 0.00 37.83 34.99 3d6x s LYS 36 CO 0.03 0.05 1.04 -0.80 -0.36 0.00 0.00 175.35 175.31 3d6x s ASN 37 N 0.57 7.28 -0.20 1.43 0.01 -1.26 -0.10 114.94 122.68 3d6x s ASN 37 Ca -0.12 1.75 -0.05 0.00 -0.71 0.00 0.00 52.86 53.72 3d6x s ASN 37 Cb -0.15 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.92 3d6x s ASN 37 CO 0.03 -0.33 0.01 -0.63 -1.51 0.00 0.00 177.10 174.67 3d6x s ILE 38 N 1.12 4.12 0.03 0.60 -1.09 -0.78 -4.95 121.20 120.24 3d6x s ILE 38 Ca 0.54 -0.26 -0.04 0.00 -2.23 0.00 0.00 60.65 58.65 3d6x s ILE 38 Cb -0.23 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3d6x s ILE 38 CO 0.28 0.43 0.07 -0.55 -1.23 0.00 0.00 174.94 173.94 3d6x s SER 39 N 0.86 0.19 0.00 3.58 0.15 -1.26 -0.58 113.70 116.63 3d6x s SER 39 Ca 0.01 -0.51 0.14 0.00 0.70 0.00 0.00 55.95 56.29 3d6x s SER 39 Cb -0.14 0.20 0.84 0.00 -1.71 0.00 0.00 66.02 65.21 3d6x s SER 39 CO 0.02 -0.45 1.28 2.30 1.20 0.00 0.00 173.24 177.58 3d6x n ILE 40 N 0.99 0.00 0.64 6.45 -6.64 -1.26 -1.60 119.36 117.94 3d6x n ILE 40 Ca -0.20 0.00 0.08 0.00 -1.77 0.00 0.00 62.75 60.86 3d6x n ILE 40 Cb 0.58 -0.61 0.38 0.00 -1.44 0.00 0.00 39.64 38.54 3d6x n ILE 40 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3d6x n SER 41 N -0.89 0.00 -4.70 7.28 7.64 -1.26 -4.77 113.62 116.91 3d6x n SER 41 Ca 0.11 0.38 -0.41 0.00 1.01 0.00 0.00 58.87 59.96 3d6x n SER 41 Cb 0.05 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 3d6x n SER 41 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3d6x s ASP 42 N -2.89 7.13 0.58 6.43 -1.08 -0.63 -4.94 116.67 121.28 3d6x s ASP 42 Ca 0.10 1.37 0.30 0.00 -0.52 0.00 0.00 52.55 53.80 3d6x s ASP 42 Cb 0.11 -2.48 1.78 0.00 -1.46 0.00 0.00 42.92 40.87 3d6x s ASP 42 CO 0.29 -0.23 2.23 1.12 0.52 0.00 0.00 175.17 179.10 3d6x h HIS 43 N 6.89 0.00 -0.13 -5.34 2.07 -1.89 -2.69 115.15 114.06 3d6x h HIS 43 Ca -0.38 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.16 3d6x h HIS 43 Cb 1.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 3d6x h HIS 43 CO 0.67 0.02 0.09 -0.39 -3.07 0.00 0.00 177.93 175.26 3d6x h VAL 44 N 0.00 0.98 0.00 6.12 -1.51 -1.95 -3.37 116.25 116.51 3d6x h VAL 44 Ca -0.00 -0.03 -0.35 0.00 -1.23 0.00 0.00 66.70 65.09 3d6x h VAL 44 Cb 0.05 0.89 0.01 0.00 -2.13 0.00 0.00 31.29 30.12 3d6x h VAL 44 CO 0.00 0.01 2.36 0.49 -1.23 0.00 0.00 177.57 179.21 3d6x n PHE 45 N -4.51 1.23 0.00 5.19 3.01 -1.02 -0.28 117.46 121.08 3d6x n PHE 45 Ca -0.00 -1.86 0.00 0.00 1.01 0.00 0.00 57.45 56.60 3d6x n PHE 45 Cb 0.16 -1.62 0.00 0.00 -0.01 0.00 0.00 39.48 38.01 3d6x n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d6x n GLY 47 N 3.66 0.00 2.42 1.37 0.00 -1.26 -4.06 105.19 107.32 3d6x n GLY 47 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 3d6x n GLY 47 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d6x n HIS 48 N -1.07 2.24 0.00 1.61 -0.00 0.61 -4.47 115.22 114.14 3d6x n HIS 48 Ca 0.00 -2.65 0.00 0.00 -0.00 0.00 0.00 57.72 55.07 3d6x n HIS 48 Cb 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 3d6x n HIS 48 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3d6x n PHE 49 N 2.01 0.00 -1.69 1.57 0.99 -1.26 -2.77 117.46 116.31 3d6x n PHE 49 Ca 0.62 0.00 -0.58 0.00 -0.00 0.00 0.00 57.45 57.49 3d6x n PHE 49 Cb 0.33 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.74 3d6x n PHE 49 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3d6x n PRO 50 N 0.11 0.96 -0.93 -1.08 -0.02 -1.26 -0.49 135.00 132.29 3d6x n PRO 50 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3d6x n PRO 50 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3d6x n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d6x n GLY 51 N 3.81 0.59 2.67 -1.23 0.00 -1.26 -4.89 105.19 104.87 3d6x n GLY 51 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 3d6x n GLY 51 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d6x n HIS 52 N -2.32 -2.99 -1.87 1.61 -0.00 0.36 -5.13 115.22 104.87 3d6x n HIS 52 Ca 0.00 -1.96 -0.42 0.00 -0.00 0.00 0.00 57.72 55.34 3d6x n HIS 52 Cb 0.05 1.25 -0.03 0.00 -0.00 0.00 0.00 29.99 31.27 3d6x n HIS 52 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3d6x s PRO 53 N 0.48 4.03 -0.05 1.57 0.04 -1.17 -4.27 135.00 135.62 3d6x s PRO 53 Ca 0.32 2.25 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 3d6x s PRO 53 Cb 0.16 -4.09 0.03 0.00 0.04 0.00 0.00 34.50 30.64 3d6x s PRO 53 CO -0.18 -1.05 -0.00 0.42 0.04 0.00 0.00 177.00 176.23 3d6x s ILE 54 N 4.69 0.30 -0.02 0.56 1.01 -1.12 -4.59 121.20 122.04 3d6x s ILE 54 Ca 0.80 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.25 3d6x s ILE 54 Cb -0.35 -0.43 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 3d6x s ILE 54 CO 0.34 0.21 1.47 -0.47 0.00 0.00 0.00 174.94 176.49 3d6x s TYR 55 N 1.54 2.61 0.10 3.97 6.04 -0.11 -4.88 117.35 126.61 3d6x s TYR 55 Ca -0.02 0.64 -0.33 0.00 0.04 0.00 0.00 57.07 57.40 3d6x s TYR 55 Cb -0.13 -3.74 -0.13 0.00 -1.04 0.00 0.00 41.96 36.93 3d6x s TYR 55 CO -0.03 -2.84 1.69 -2.30 -1.54 0.00 0.00 175.55 170.53 3d6x n PRO 56 N 5.94 2.27 -0.21 4.97 -0.02 -1.26 -4.59 135.00 142.10 3d6x n PRO 56 Ca 0.14 0.82 0.02 0.00 -2.02 0.00 0.00 63.50 62.47 3d6x n PRO 56 Cb 0.43 -2.63 0.12 0.00 -0.02 0.00 0.00 33.50 31.40 3d6x n PRO 56 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d6x h GLY 57 N 7.08 0.77 1.55 -1.23 0.00 -1.99 -1.56 103.07 107.68 3d6x h GLY 57 Ca -0.46 0.02 0.06 0.00 0.00 0.00 0.00 47.33 46.95 3d6x h GLY 57 CO 0.91 -0.17 0.17 -0.39 0.00 0.00 0.00 176.54 177.06 3d6x h VAL 58 N 0.20 0.69 0.00 4.60 -1.51 -2.01 0.10 116.25 118.32 3d6x h VAL 58 Ca 0.34 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.67 3d6x h VAL 58 Cb 0.55 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 3d6x h VAL 58 CO -0.48 0.00 -0.67 -0.07 -1.23 0.00 0.00 177.57 175.12 3d6x h LEU 59 N 0.00 0.00 -0.48 4.19 3.38 -1.65 -2.41 115.31 118.33 3d6x h LEU 59 Ca 0.09 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3d6x h LEU 59 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3d6x h LEU 59 CO -0.00 0.67 0.31 0.40 0.09 0.00 0.00 178.44 179.91 3d6x h ILE 60 N 0.00 1.10 -0.83 1.22 2.04 -0.74 -0.98 117.51 119.32 3d6x h ILE 60 Ca -0.01 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.68 3d6x h ILE 60 Cb 1.26 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3d6x h ILE 60 CO 0.09 0.11 0.52 -0.07 0.00 0.00 0.00 178.15 178.80 3d6x h LEU 61 N 0.63 0.84 -0.86 1.44 3.38 -1.28 -2.33 115.31 117.13 3d6x h LEU 61 Ca 0.18 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3d6x h LEU 61 Cb -0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3d6x h LEU 61 CO -0.06 0.56 -0.00 -0.08 0.09 0.00 0.00 178.44 178.96 3d6x h GLU 62 N 0.99 0.84 -1.11 1.13 4.57 -0.93 0.23 114.58 120.30 3d6x h GLU 62 Ca 0.35 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3d6x h GLU 62 Cb 0.08 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3d6x h GLU 62 CO -0.14 0.84 0.00 0.41 -1.18 0.00 0.00 179.01 178.94 3d6x n GLY 63 N -0.60 0.35 1.20 1.92 0.00 -0.42 -0.57 105.19 107.07 3d6x n GLY 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3d6x n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d6x n ALA 65 N 0.69 0.00 -0.07 4.61 0.00 0.07 -1.56 120.51 124.25 3d6x n ALA 65 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3d6x n ALA 65 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.54 3d6x n ALA 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3d6x h GLN 66 N 0.00 0.79 -0.28 0.00 4.20 -1.10 -0.61 115.11 118.10 3d6x h GLN 66 Ca 0.00 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 3d6x h GLN 66 Cb 0.00 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3d6x h GLN 66 CO 0.00 1.07 0.17 1.15 -0.67 0.00 0.00 178.83 180.55 3d6x h THR 67 N 0.63 1.10 -0.23 -0.54 2.02 -1.54 -0.69 112.91 113.67 3d6x h THR 67 Ca 0.04 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.00 3d6x h THR 67 Cb 1.02 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3d6x h THR 67 CO 0.10 0.10 0.16 1.23 0.37 0.00 0.00 175.52 177.48 3d6x h GLY 68 N 0.36 0.22 0.67 2.16 0.00 -1.79 -2.22 103.07 102.47 3d6x h GLY 68 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.37 3d6x h GLY 68 CO -0.02 0.07 -0.15 -1.33 0.00 0.00 0.00 176.54 175.11 3d6x h GLY 69 N 0.20 -0.23 0.79 4.60 0.00 0.41 -0.07 103.07 108.77 3d6x h GLY 69 Ca 0.10 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.64 3d6x h GLY 69 CO -0.02 -0.15 0.16 -2.08 0.00 0.00 0.00 176.54 174.45 3d6x h VAL 70 N -0.28 0.96 -0.21 4.60 2.07 -0.84 0.75 116.25 123.30 3d6x h VAL 70 Ca 0.04 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3d6x h VAL 70 Cb 0.32 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3d6x h VAL 70 CO -0.12 0.06 -0.17 0.25 0.02 0.00 0.00 177.57 177.61 3d6x h LEU 71 N 0.34 -0.56 0.21 2.57 5.85 -1.12 0.27 115.31 122.87 3d6x h LEU 71 Ca 0.15 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3d6x h LEU 71 Cb 0.08 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3d6x h LEU 71 CO -0.12 -0.21 -0.14 0.00 -0.34 0.00 0.00 178.44 177.62 3d6x h ALA 72 N 0.94 -0.33 -0.58 1.25 0.00 -0.35 -2.06 119.26 118.12 3d6x h ALA 72 Ca 0.13 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3d6x h ALA 72 Cb 0.37 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3d6x h ALA 72 CO -0.32 -0.70 0.40 0.74 0.00 0.00 0.00 179.25 179.37 3d6x h PHE 73 N -0.35 0.26 -0.03 0.00 0.04 -0.46 -0.61 116.94 115.79 3d6x h PHE 73 Ca -0.01 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3d6x h PHE 73 Cb 0.31 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.37 3d6x h PHE 73 CO -0.10 0.11 0.00 0.39 -0.60 0.00 0.00 178.31 178.11 3d6x n GLU 74 N -4.44 1.15 -2.59 1.51 -0.58 0.90 -5.01 120.64 111.57 3d6x n GLU 74 Ca 0.10 -0.22 -0.09 0.00 -0.42 0.00 0.00 57.16 56.53 3d6x n GLU 74 Cb 0.49 -1.36 0.04 0.00 -0.57 0.00 0.00 31.44 30.03 3d6x n GLU 74 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3d6x n SER 75 N -0.61 2.57 -3.43 1.62 7.64 -0.24 -4.88 113.62 116.28 3d6x n SER 75 Ca 0.17 -2.69 -0.26 0.00 1.01 0.00 0.00 58.87 57.10 3d6x n SER 75 Cb 0.13 -0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 3d6x n SER 75 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3d6x n PRO 82 N -0.51 0.88 0.00 1.43 -0.04 -1.26 -4.84 135.00 130.66 3d6x n PRO 82 Ca 0.18 -3.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.06 3d6x n PRO 82 Cb 0.83 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 3d6x n PRO 82 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3d6x n LYS 83 N 2.07 0.00 -5.01 0.54 4.01 -1.26 -5.16 118.16 113.35 3d6x n LYS 83 Ca 0.26 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.77 3d6x n LYS 83 Cb 0.46 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.82 3d6x n LYS 83 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3d6x s SER 84 N 1.53 2.59 0.07 4.39 0.15 -1.26 -5.11 113.70 116.05 3d6x s SER 84 Ca 0.00 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.18 3d6x s SER 84 Cb 0.00 -0.94 0.01 0.00 -1.71 0.00 0.00 66.02 63.37 3d6x s SER 84 CO 0.00 0.16 0.12 0.29 1.20 0.00 0.00 173.24 175.01 3d6x n LYS 85 N 3.33 0.18 -4.29 5.44 4.76 -1.26 -4.98 118.16 121.34 3d6x n LYS 85 Ca -0.19 -0.39 -0.24 0.00 -2.87 0.00 0.00 58.31 54.62 3d6x n LYS 85 Cb 0.52 0.46 -0.13 0.00 -1.84 0.00 0.00 35.03 34.05 3d6x n LYS 85 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d6x s VAL 86 N -2.79 1.70 -0.41 -0.18 0.11 0.37 -4.92 120.40 114.28 3d6x s VAL 86 Ca 0.03 -1.53 -0.06 0.00 -2.93 0.00 0.00 61.98 57.49 3d6x s VAL 86 Cb -0.01 -1.54 0.09 0.00 -1.53 0.00 0.00 36.38 33.39 3d6x s VAL 86 CO 0.02 -0.06 0.22 -0.69 -3.33 0.00 0.00 175.10 171.27 3d6x s VAL 87 N -1.16 3.77 -0.26 2.04 1.01 -1.26 -0.24 120.40 124.30 3d6x s VAL 87 Ca 0.06 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 3d6x s VAL 87 Cb -0.10 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3d6x s VAL 87 CO 0.04 -0.56 0.26 -0.47 0.00 0.00 0.00 175.10 174.37 3d6x s TYR 88 N 1.30 3.26 -0.38 5.22 6.04 -1.26 -5.01 117.35 126.52 3d6x s TYR 88 Ca 0.04 0.27 -0.23 0.00 0.04 0.00 0.00 57.07 57.19 3d6x s TYR 88 Cb -0.23 -2.43 0.01 0.00 -1.04 0.00 0.00 41.96 38.27 3d6x s TYR 88 CO -0.01 -0.13 0.80 -0.06 -1.54 0.00 0.00 175.55 174.61 3d6x s PHE 89 N 1.70 3.09 -0.78 4.97 0.08 -1.26 -4.39 117.98 121.39 3d6x s PHE 89 Ca 0.11 0.52 0.22 0.00 0.12 0.00 0.00 56.93 57.89 3d6x s PHE 89 Cb -0.15 -3.48 -0.17 0.00 -0.57 0.00 0.00 43.02 38.65 3d6x s PHE 89 CO 0.09 -0.79 0.88 0.25 -0.10 0.00 0.00 175.22 175.55 3d6x n THR 90 N 5.88 0.02 -3.61 0.64 -2.24 -0.41 -4.98 114.28 109.59 3d6x n THR 90 Ca 0.03 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 3d6x n THR 90 Cb 0.48 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 3d6x n THR 90 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3d6x s GLY 91 N -3.34 -0.46 -0.01 3.38 0.00 -1.15 -5.00 107.32 100.74 3d6x s GLY 91 Ca 0.05 1.20 0.02 0.00 0.00 0.00 0.00 44.72 45.99 3d6x s GLY 91 CO 0.86 0.90 -0.08 -0.42 0.00 0.00 0.00 173.10 174.36 3d6x s ILE 92 N -0.85 0.66 0.03 0.90 1.01 -1.26 -0.78 121.20 120.91 3d6x s ILE 92 Ca -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 3d6x s ILE 92 Cb -0.02 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 3d6x s ILE 92 CO 0.06 0.20 -0.01 -0.62 0.00 0.00 0.00 174.94 174.58 3d6x s ASP 93 N 0.02 0.27 -1.59 3.58 3.68 -0.20 -4.87 116.67 117.56 3d6x s ASP 93 Ca -0.00 -0.58 -0.09 0.00 2.13 0.00 0.00 52.55 54.00 3d6x s ASP 93 Cb -0.06 0.14 0.08 0.00 -1.45 0.00 0.00 42.92 41.64 3d6x s ASP 93 CO -0.00 -0.39 0.50 0.61 0.13 0.00 0.00 175.17 176.02 3d6x n GLY 94 N 1.21 -0.30 3.70 2.66 0.00 -1.26 -0.82 105.19 110.37 3d6x n GLY 94 Ca -0.21 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3d6x n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d6x s ALA 95 N -3.72 3.30 -0.02 4.61 0.00 -1.25 -4.19 121.76 120.49 3d6x s ALA 95 Ca 0.36 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3d6x s ALA 95 Cb -0.20 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3d6x s ALA 95 CO 0.94 -0.34 -0.09 0.15 0.00 0.00 0.00 175.76 176.42 3d6x s LYS 96 N 1.33 0.94 -0.20 0.00 1.02 0.45 -4.97 119.74 118.30 3d6x s LYS 96 Ca 0.46 -0.31 -0.05 0.00 0.02 0.00 0.00 55.97 56.09 3d6x s LYS 96 Cb -0.19 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 3d6x s LYS 96 CO 0.21 0.12 0.01 -0.06 -0.92 0.00 0.00 175.35 174.72 3d6x s PHE 97 N 0.15 3.06 -0.01 3.18 0.40 -1.26 -1.43 117.98 122.07 3d6x s PHE 97 Ca -0.02 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 3d6x s PHE 97 Cb -0.08 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 3d6x s PHE 97 CO 0.00 -0.21 -0.02 0.54 0.70 0.00 0.00 175.22 176.23 3d6x n ARG 98 N 4.24 0.03 -4.43 0.44 1.74 0.17 -4.98 116.66 113.87 3d6x n ARG 98 Ca -0.17 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.67 3d6x n ARG 98 Cb 0.52 -0.46 -0.11 0.00 -1.02 0.00 0.00 32.46 31.39 3d6x n ARG 98 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3d6x s ASN 99 N -4.33 3.43 0.68 0.55 0.01 -1.22 -5.05 114.94 109.01 3d6x s ASN 99 Ca -0.02 -0.92 -0.16 0.00 -0.71 0.00 0.00 52.86 51.06 3d6x s ASN 99 Cb 0.00 -0.26 0.01 0.00 0.41 0.00 0.00 41.25 41.41 3d6x s ASN 99 CO 0.03 0.08 1.18 -2.16 -1.51 0.00 0.00 177.10 174.72 3d6x s PRO 100 N -2.95 2.52 -0.10 -0.60 0.04 -1.26 -4.82 135.00 127.84 3d6x s PRO 100 Ca 0.23 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3d6x s PRO 100 Cb -0.07 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3d6x s PRO 100 CO 0.11 -1.52 -0.09 0.08 0.04 0.00 0.00 177.00 175.62 3d6x s VAL 101 N -2.00 3.44 0.12 -0.36 1.01 -1.26 -5.03 120.40 116.31 3d6x s VAL 101 Ca 0.73 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3d6x s VAL 101 Cb -0.27 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3d6x s VAL 101 CO 0.41 0.56 -0.10 -0.13 0.00 0.00 0.00 175.10 175.84 3d6x s ARG 102 N -0.28 0.94 0.17 2.72 0.52 -1.26 -0.94 118.95 120.82 3d6x s ARG 102 Ca 0.03 -1.31 -0.33 0.00 -0.52 0.00 0.00 55.73 53.61 3d6x s ARG 102 Cb -0.13 -0.54 -0.16 0.00 0.52 0.00 0.00 34.95 34.65 3d6x s ARG 102 CO 0.03 0.07 1.17 -2.30 0.02 0.00 0.00 175.30 174.28 3d6x n PRO 103 N 0.16 1.18 0.00 3.54 -0.02 -1.26 -1.51 135.00 137.09 3d6x n PRO 103 Ca -0.13 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3d6x n PRO 103 Cb 0.59 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3d6x n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d6x n GLY 104 N 2.01 2.93 3.78 -1.23 0.00 0.25 -4.94 105.19 107.98 3d6x n GLY 104 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3d6x n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d6x s ASP 105 N -0.96 6.87 -0.23 1.61 -0.00 -0.57 -4.87 116.67 118.52 3d6x s ASP 105 Ca 0.00 2.07 -0.19 0.00 -0.00 0.00 0.00 52.55 54.44 3d6x s ASP 105 Cb 0.00 -2.59 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 3d6x s ASP 105 CO 0.00 -0.41 0.55 -0.60 -0.00 0.00 0.00 175.17 174.71 3d6x s ARG 106 N -2.28 4.14 -0.48 8.23 3.52 -1.26 -1.87 118.95 128.96 3d6x s ARG 106 Ca 0.55 0.44 -0.19 0.00 -0.13 0.00 0.00 55.73 56.40 3d6x s ARG 106 Cb -0.24 -3.61 0.04 0.00 -1.56 0.00 0.00 34.95 29.59 3d6x s ARG 106 CO 0.30 -0.27 0.60 -1.17 -0.81 0.00 0.00 175.30 173.96 3d6x s LEU 107 N 2.02 4.82 -0.27 -0.88 2.96 0.86 -4.40 118.68 123.79 3d6x s LEU 107 Ca 0.24 -0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 53.24 3d6x s LEU 107 Cb -0.16 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3d6x s LEU 107 CO 0.09 -0.82 0.59 -1.81 -1.32 0.00 0.00 176.35 173.09 3d6x s ASP 108 N 2.37 6.50 -0.00 3.68 1.01 0.14 -0.88 116.67 129.50 3d6x s ASP 108 Ca 0.17 0.55 -0.05 0.00 0.71 0.00 0.00 52.55 53.93 3d6x s ASP 108 Cb -0.17 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 3d6x s ASP 108 CO 0.14 -0.38 0.24 -0.31 0.21 0.00 0.00 175.17 175.07 3d6x s TYR 109 N 2.47 3.57 0.22 4.23 1.51 0.16 -0.05 117.35 129.46 3d6x s TYR 109 Ca 0.24 0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 3d6x s TYR 109 Cb -0.15 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3d6x s TYR 109 CO 0.10 0.63 0.14 -2.00 -1.11 0.00 0.00 175.55 173.30 3d6x s GLU 110 N -1.78 1.28 -0.28 -0.62 2.12 -0.09 -2.45 118.70 116.89 3d6x s GLU 110 Ca 0.27 -1.68 -0.27 0.00 0.36 0.00 0.00 54.97 53.64 3d6x s GLU 110 Cb -0.13 0.20 0.18 0.00 0.26 0.00 0.00 34.13 34.64 3d6x s GLU 110 CO 0.16 -0.40 1.34 -1.12 -0.54 0.00 0.00 175.26 174.70 3d6x s SER 112 N -3.20 -0.10 -0.26 -1.70 0.01 -0.15 -1.04 113.70 107.26 3d6x s SER 112 Ca 0.39 0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.55 3d6x s SER 112 Cb 0.07 0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.43 3d6x s SER 112 CO 0.14 -0.06 0.85 -0.69 0.41 0.00 0.00 173.24 173.88 3d6x s VAL 113 N -0.52 4.80 -0.16 3.43 1.01 -0.11 -0.30 120.40 128.54 3d6x s VAL 113 Ca 0.07 1.53 0.16 0.00 0.00 0.00 0.00 61.98 63.74 3d6x s VAL 113 Cb -0.03 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.96 3d6x s VAL 113 CO -0.10 -0.14 0.21 1.33 0.00 0.00 0.00 175.10 176.40 3d6x n VAL 114 N 5.35 1.45 -3.93 2.92 0.24 0.72 -4.91 118.33 120.18 3d6x n VAL 114 Ca 0.06 -0.83 -0.10 0.00 -2.04 0.00 0.00 64.34 61.42 3d6x n VAL 114 Cb 0.47 -0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 32.10 3d6x n VAL 114 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3d6x s LYS 115 N -2.52 0.39 -0.10 7.34 2.20 -1.09 -5.00 119.74 120.97 3d6x s LYS 115 Ca -0.09 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 54.97 3d6x s LYS 115 Cb 0.07 0.15 0.05 0.00 -1.51 0.00 0.00 37.83 36.59 3d6x s LYS 115 CO 0.82 -0.08 0.12 1.21 -0.36 0.00 0.00 175.35 177.06 3d6x s ASN 116 N -1.42 1.21 -0.14 1.43 3.84 -1.26 -1.27 114.94 117.32 3d6x s ASN 116 Ca -0.15 0.04 -0.04 0.00 0.21 0.00 0.00 52.86 52.91 3d6x s ASN 116 Cb -0.09 0.07 0.05 0.00 -0.55 0.00 0.00 41.25 40.73 3d6x s ASN 116 CO 0.00 -0.27 0.07 -0.60 -2.79 0.00 0.00 177.10 173.51 3d6x s ARG 117 N 2.23 0.13 1.27 0.43 3.52 -1.26 -5.04 118.95 120.23 3d6x s ARG 117 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 3d6x s ARG 117 Cb -0.13 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 3d6x s ARG 117 CO -0.06 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.25 3d6x n GLY 118 N 5.25 1.99 2.19 8.12 0.00 -1.26 -4.77 105.19 116.71 3d6x n GLY 118 Ca -0.06 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 3d6x n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d6x n ASN 119 N 4.90 6.82 0.00 1.61 4.13 -1.26 -5.06 115.26 126.41 3d6x n ASN 119 Ca 0.00 -2.63 0.00 0.00 1.68 0.00 0.00 54.58 53.63 3d6x n ASN 119 Cb 0.00 -1.45 0.00 0.00 -1.54 0.00 0.00 39.78 36.79 3d6x n ASN 119 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3d6x n TRP 121 N 2.68 0.00 -4.31 3.10 7.02 -0.52 -2.68 117.44 122.73 3d6x n TRP 121 Ca 0.58 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.75 3d6x n TRP 121 Cb 0.59 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.32 3d6x n TRP 121 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3d6x s ILE 122 N -0.69 1.77 -0.00 -0.99 1.01 -0.40 -0.73 121.20 121.17 3d6x s ILE 122 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3d6x s ILE 122 Cb 0.00 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3d6x s ILE 122 CO 0.00 0.49 -0.10 -0.36 0.00 0.00 0.00 174.94 174.98 3d6x s PHE 123 N 1.15 2.81 -0.24 3.97 0.40 0.42 -0.20 117.98 126.29 3d6x s PHE 123 Ca -0.01 -0.09 -0.15 0.00 -0.60 0.00 0.00 56.93 56.08 3d6x s PHE 123 Cb -0.14 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 3d6x s PHE 123 CO -0.07 0.32 0.39 0.21 0.70 0.00 0.00 175.22 176.78 3d6x s LYS 124 N -1.27 4.09 -0.04 0.44 2.20 0.59 -0.89 119.74 124.86 3d6x s LYS 124 Ca 0.15 0.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.96 3d6x s LYS 124 Cb -0.11 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 3d6x s LYS 124 CO 0.06 -0.17 -0.25 0.20 -0.36 0.00 0.00 175.35 174.83 3d6x s GLY 125 N 1.35 1.30 0.03 5.54 0.00 0.19 -0.98 107.32 114.74 3d6x s GLY 125 Ca 0.17 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3d6x s GLY 125 CO 0.09 -0.79 -0.06 1.20 0.00 0.00 0.00 173.10 173.54 3d6x s GLN 126 N -0.42 0.42 -0.02 2.90 -0.21 -0.21 -1.57 119.66 120.56 3d6x s GLN 126 Ca 0.04 -0.57 0.07 0.00 0.02 0.00 0.00 55.36 54.92 3d6x s GLN 126 Cb -0.12 -0.20 -0.02 0.00 1.00 0.00 0.00 33.01 33.67 3d6x s GLN 126 CO 0.01 0.04 -0.22 0.00 -2.12 0.00 0.00 175.29 173.00 3d6x s ALA 127 N -1.08 1.79 0.10 6.09 0.00 0.06 -0.91 121.76 127.82 3d6x s ALA 127 Ca -0.08 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 50.98 3d6x s ALA 127 Cb -0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3d6x s ALA 127 CO -0.00 0.44 -0.11 -0.06 0.00 0.00 0.00 175.76 176.03 3d6x s PHE 128 N -0.51 1.14 -0.12 0.00 0.40 0.92 -0.36 117.98 119.45 3d6x s PHE 128 Ca 0.08 -0.61 -0.03 0.00 -0.60 0.00 0.00 56.93 55.78 3d6x s PHE 128 Cb -0.08 -0.62 0.04 0.00 0.51 0.00 0.00 43.02 42.87 3d6x s PHE 128 CO -0.01 0.04 0.04 0.08 0.70 0.00 0.00 175.22 176.07 3d6x s VAL 129 N -2.23 0.24 -1.69 -0.44 1.01 -0.75 0.29 120.40 116.83 3d6x s VAL 129 Ca 0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 3d6x s VAL 129 Cb -0.04 -0.63 0.15 0.00 0.00 0.00 0.00 36.38 35.86 3d6x s VAL 129 CO 0.01 -0.00 0.80 0.47 0.00 0.00 0.00 175.10 176.38 3d6x n ASP 130 N 5.17 -3.42 0.00 3.32 8.00 -1.26 -1.45 116.55 126.91 3d6x n ASP 130 Ca -0.07 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3d6x n ASP 130 Cb 0.49 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 3d6x n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d6x n GLY 131 N -1.43 0.55 3.52 0.44 0.00 -1.26 -5.02 105.19 101.98 3d6x n GLY 131 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3d6x n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d6x s ASN 132 N -2.04 5.34 0.10 1.61 0.01 -0.53 -5.06 114.94 114.37 3d6x s ASN 132 Ca 0.00 -0.10 -0.33 0.00 -0.71 0.00 0.00 52.86 51.72 3d6x s ASN 132 Cb 0.00 -1.95 -0.13 0.00 0.41 0.00 0.00 41.25 39.59 3d6x s ASN 132 CO 0.00 0.04 1.70 -0.11 -1.51 0.00 0.00 177.10 177.22 3d6x n LEU 133 N 4.46 3.40 -0.01 0.60 7.94 -1.26 -1.81 117.00 130.32 3d6x n LEU 133 Ca -0.16 1.04 0.01 0.00 -1.11 0.00 0.00 56.01 55.79 3d6x n LEU 133 Cb 0.52 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 3d6x n LEU 133 CO 0.32 -0.12 -0.57 1.33 -1.11 0.00 0.00 177.39 177.25 3d6x n VAL 134 N 4.07 0.08 -3.57 1.96 0.24 0.51 -4.35 118.33 117.28 3d6x n VAL 134 Ca 0.18 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.26 3d6x n VAL 134 Cb 0.31 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.60 3d6x n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d6x s ALA 135 N -2.20 -1.22 0.05 2.33 0.00 -1.18 0.43 121.76 119.97 3d6x s ALA 135 Ca -0.01 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 3d6x s ALA 135 Cb 0.02 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.80 3d6x s ALA 135 CO 0.15 -0.61 0.52 -1.83 0.00 0.00 0.00 175.76 173.98 3d6x s GLU 136 N -3.25 1.04 0.05 0.00 -1.05 -0.51 -0.76 118.70 114.21 3d6x s GLU 136 Ca -0.01 -0.24 -0.28 0.00 -0.15 0.00 0.00 54.97 54.30 3d6x s GLU 136 Cb 0.00 0.47 0.09 0.00 -0.44 0.00 0.00 34.13 34.26 3d6x s GLU 136 CO -0.08 -0.37 0.99 0.00 0.95 0.00 0.00 175.26 176.75 3d6x s ALA 137 N -2.46 -1.82 -0.23 -0.84 0.00 -0.61 -0.41 121.76 115.39 3d6x s ALA 137 Ca -0.05 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 3d6x s ALA 137 Cb -0.01 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3d6x s ALA 137 CO -0.02 -0.88 0.06 -2.00 0.00 0.00 0.00 175.76 172.92 3d6x s GLU 138 N -3.05 3.70 -0.15 0.00 2.12 -0.00 -0.64 118.70 120.68 3d6x s GLU 138 Ca 0.10 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.93 3d6x s GLU 138 Cb -0.00 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 3d6x s GLU 138 CO -0.03 -0.08 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.08 3d6x s LEU 139 N 1.30 3.36 -0.14 2.70 2.01 -0.07 -1.03 118.68 126.81 3d6x s LEU 139 Ca 0.05 -0.06 -0.04 0.00 0.01 0.00 0.00 54.13 54.09 3d6x s LEU 139 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 46.19 44.22 3d6x s LEU 139 CO 0.03 0.21 -0.00 -0.75 1.01 0.00 0.00 176.35 176.84 3d6x s LYS 140 N 0.15 3.49 0.00 1.70 2.20 0.04 -0.44 119.74 126.88 3d6x s LYS 140 Ca -0.00 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 3d6x s LYS 140 Cb -0.13 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3d6x s LYS 140 CO 0.02 0.41 0.00 0.00 -0.36 0.00 0.00 175.35 175.43 3d6x n ALA 141 N 3.04 0.00 -3.67 3.13 0.00 0.09 -1.28 120.51 121.82 3d6x n ALA 141 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 3d6x n ALA 141 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 3d6x n ALA 141 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3d6x s ILE 143 N -1.62 -0.40 0.27 0.00 1.01 -1.09 -1.44 121.20 117.92 3d6x s ILE 143 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.93 3d6x s ILE 143 Cb 0.00 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.93 3d6x s ILE 143 CO 0.00 0.10 -0.00 -0.69 0.00 0.00 0.00 174.94 174.35 3d6x s VAL 144 N 2.29 1.22 0.00 2.92 1.01 0.67 -4.87 120.40 123.64 3d6x s VAL 144 Ca -0.01 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 59.92 3d6x s VAL 144 Cb -0.12 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3d6x s VAL 144 CO -0.10 -0.23 0.00 0.47 0.00 0.00 0.00 175.10 175.24